이름: (±)-acetic acid (1RS,3RS,4RS)-4-amino-3-(3,4-dimethoxyphenyl)cyclohexyl ester
SMILES:
COc1ccc(C2CC(OC(C)=O)CCC2N)cc1OCMolecular Processing
Molecular formula
C16H23NO4
Molecular weight
293.36
Exact mass
293.1627
XLogP
2.23
TPSA
70.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
79.67
Supplementary Information
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